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Concept information

Preferred term

(2r,4r)-1-acetyl-4-(4-/{[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy/}phenyl)piperazine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C26H28Cl2N4O4

inchi

  • InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m1/s1

inchikey

  • XMAYWYJOQHXEEK-BVAGGSTKSA-N

mass

  • 531.43048

monoisotopicmass

  • 530.14876

smiles

  • CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1

subset

  • 3_STAR

synonym EXACT

  • 1-acetyl-4-(4-{[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:48344

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